SCHEMBL8973089

SCHEMBL8973089

CC(C)c1cccc2oc(C(CC(=O)O)C(O)=S)nc12

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
SOAT1 P35610 3/20 0.34
CTSA P10619 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8973078 0.90 IKBKE (0.32) IKBKETBK1SOAT1
SCHEMBL9306240 0.82 DAGLA (0.42) CTSA
SCHEMBL9733965 0.82 CTSA (0.33) CTSA
SCHEMBL9304112 0.82 CTSA (0.33) CTSA
SCHEMBL8973074 0.81 SOAT1 (0.36) IKBKETBK1SOAT1
SCHEMBL9305342 0.81 TOP2A (0.39) CTSA
SCHEMBL8972338 0.78 HDAC3 (0.46)
Methylamine SCHEMBL10867855 0.77 HDAC4 (0.43)
Ammonia Solution, Strong SCHEMBL10865678 0.77 HDAC3 (0.45)
Dimethylamine SCHEMBL10893057 0.76 HDAC4 (0.45)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5549847-A STIRRING A FILTER CAKE OF CORROSION INHIBITOR WITH DISPERSANT AND THICKENER; STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
US-5347008-A Thio(cyclo) alkanepolycarboxylic acids containing heterocyclic substituents CIBA-GEIGY CORPORATION (US) 1994-09-13 US disclosed
US-5152929-A Corrosion inhibitors for water systems CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
US-4612049-A BENZOTHI ZOLYL THIO-, BENZIMIDAZOLYLTHIO- OR BENZOXAZOLYLTHIO-SUBSTITUTED CARBOXY ACID CIBA-GEIGY CORPORATION (US) 1986-09-16 US disclosed